6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one

C13H13N3O2 — CID 135771017

IUPAC6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C/c2ccccc2O)c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-9-6-12(14)16(13(18)7-9)15-8-10-4-2-3-5-11(10)17/h2-8,17H,14H2,1H3/b15-8+
InChIKeyFXDFQQXKYKJODF-OVCLIPMQSA-N
MW243.27 g/mol
LogP1.33
Rot. Bonds2

About 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one (PubChem CID 135771017) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
PubChem CID135771017
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C/c2ccccc2O)c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-9-6-12(14)16(13(18)7-9)15-8-10-4-2-3-5-11(10)17/h2-8,17H,14H2,1H3/b15-8+
InChIKeyFXDFQQXKYKJODF-OVCLIPMQSA-N
XLogP1.33
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
6-amino-4-methyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-one
CID 9024471
6-amino-1-[(2,6-dichlorophenyl)methylideneamino]-4-methylpyridin-2-one
CID 23376464
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
CID 9024345
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552
6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024568
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
CID 9024468
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
6-amino-1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025080

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one (CID 135771017) is 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one is Cc1cc(N)n(/N=C/c2ccccc2O)c(=O)c1.
What is the InChIKey of 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The InChIKey is FXDFQQXKYKJODF-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-6-12(14)16(13(18)7-9)15-8-10-4-2-3-5-11(10)17/h2-8,17H,14H2,1H3/b15-8+.
What are the key properties of 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 135771017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).